9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C24H24N4O3 — CID 69310507

IUPAC9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(-c3ccncc3)cc2=O)N1C(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C24H24N4O3/c1-17-9-12-27-22(29)15-20(18-7-10-25-11-8-18)26-24(27)28(17)23(19-5-3-2-4-6-19)21-16-30-13-14-31-21/h2-3,5,7-8,10-11,13-17,23H,4,6,9,12H2,1H3
InChIKeyFZFHMHNXFIGMHJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.91
Rot. Bonds4

About 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 69310507) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID69310507
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(-c3ccncc3)cc2=O)N1C(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C24H24N4O3/c1-17-9-12-27-22(29)15-20(18-7-10-25-11-8-18)26-24(27)28(17)23(19-5-3-2-4-6-19)21-16-30-13-14-31-21/h2-3,5,7-8,10-11,13-17,23H,4,6,9,12H2,1H3
InChIKeyFZFHMHNXFIGMHJ-UHFFFAOYSA-N
XLogP3.91
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 69310507) is 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1CCn2c(nc(-c3ccncc3)cc2=O)N1C(C1=CC=CCC1)C1=COC=CO1.
What is the InChIKey of 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is FZFHMHNXFIGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17-9-12-27-22(29)15-20(18-7-10-25-11-8-18)26-24(27)28(17)23(19-5-3-2-4-6-19)21-16-30-13-14-31-21/h2-3,5,7-8,10-11,13-17,23H,4,6,9,12H2,1H3.
What are the key properties of 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-8-methyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69310507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).